(2E)-3-oxidanylidene-2-[[2-(sulfinylmethyl)phenyl]methylidene]butanoic acid

Systemtic Name: (2E)-3-oxidanylidene-2-[[2-(sulfinylmethyl)phenyl]methylidene]butanoic acid Openeye Name: (2E)-3-oxo-2-[[2-(sulfinylmethyl)phenyl]methylene]butanoic acid CAS Name: (2E)-3-oxo-2-[[2-(sulfinylmethyl)phenyl]methylidene]butanoic acid IUPAC Name: (2E)-3-oxo-2-[[2-(sulfinylmethyl)phenyl]methylidene]butanoic acid Traditional Name: (E)-2-acetyl-3-[2-(sulfinylmethyl)phenyl]acrylic acid Formula: C12H10O4S MolecularWeight: 250.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C=S=O)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C=S=O)/C(=O)O

InChI

InChI=1S/C12H10O4S/c1-8(13)11(12(14)15)6-9-4-2-3-5-10(9)7-17-16/h2-7H,1H3,(H,14,15)/b11-6+